Geometry & MOs

Info

ID:

112716

PubChem CID:

50416619

Reduced:

F3O5N6C38H43 (1)

Stoich.:

A3B5C6D38E43 (1)

Weight, g/mol:

651.285698

ΔHf, kcal/mol:

-320.47

Dipole, Da:

2.69

IP(EA), eV:

 -8.74(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-[(2-methoxybenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)NC(=O)C4CCCCC4)F)C(=O)NC5=C(C=CC(=C5)F)F

DOS

IR

Vibrations